Structure

Cross-references

GlyTouCan : G39624YQ

GlyGen : G39624YQ

ChEBI : 150622

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Composition

Hex:2 HexNAc:3 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-3)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:a-lgal-HEX-1:5|6:d
9b:b-dgal-HEX-1:5
10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(3+1)8d
8:6o(4+1)9d
9:9o(3+2)10d
10:10d(5+1)11n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

NBSXNYDHRSGLTE-LQLVGJPGSA-N

InCHI

InChI=1S/C53H88N4O38/c1-13-29(69)35(75)37(77)49(84-13)93-44-28(57-17(5)66)47(88-23(11-62)41(44)91-51-39(79)45(32(72)21(9-60)87-51)95-53(52(81)82)6-18(67)25(54-14(2)63)43(94-53)30(70)19(68)7-58)83-12-24-33(73)42(27(46(80)85-24)56-16(4)65)92-48-26(55-15(3)64)34(74)40(22(10-61)89-48)90-50-38(78)36(76)31(71)20(8-59)86-50/h13,18-51,58-62,67-80H,6-12H2,1-5H3,(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,81,82)/t13-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47+,48-,49-,50-,51-,53-/m0/s1